2-(1,4-diazepan-1-yl)-N-[2-(oxan-2-yl)ethyl]-2-oxoacetamide

C14H25N3O3 — CID 106000350

IUPAC2-(1,4-diazepan-1-yl)-N-[2-(oxan-2-yl)ethyl]-2-oxoacetamide
SMILESO=C(NCCC1CCCCO1)C(=O)N1CCCNCC1
InChIInChI=1S/C14H25N3O3/c18-13(14(19)17-9-3-6-15-8-10-17)16-7-5-12-4-1-2-11-20-12/h12,15H,1-11H2,(H,16,18)
InChIKeyBUJBCVRBGUTLNW-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.12
Rot. Bonds3

About 2-(1,4-diazepan-1-yl)-N-[2-(oxan-2-yl)ethyl]-2-oxoacetamide

2-(1,4-diazepan-1-yl)-N-[2-(oxan-2-yl)ethyl]-2-oxoacetamide (PubChem CID 106000350) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-[2-(oxan-2-yl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[2-(oxan-2-yl)ethyl]-2-oxoacetamide
PubChem CID106000350
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-(1,4-diazepan-1-yl)-N-[2-(oxan-2-yl)ethyl]-2-oxoacetamide
SMILESO=C(NCCC1CCCCO1)C(=O)N1CCCNCC1
InChIInChI=1S/C14H25N3O3/c18-13(14(19)17-9-3-6-15-8-10-17)16-7-5-12-4-1-2-11-20-12/h12,15H,1-11H2,(H,16,18)
InChIKeyBUJBCVRBGUTLNW-UHFFFAOYSA-N
XLogP-0.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 63953500
2-(1,4-diazepan-1-yl)-N-(2,2-difluoroethyl)-2-oxoacetamide
CID 115408222
2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)-2-oxoacetamide
CID 107817508
N-benzyl-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43144985
N-[2-(oxolan-2-yl)ethyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61040212
1-cyclopropyl-3-[2-(oxan-2-yl)ethyl]urea
CID 103975410
4-methyl-N-[2-(oxan-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 114136026
2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)-2-oxoacetamide
CID 64526128
1-[3-(oxan-2-yl)propanoyl]-1,4-diazepan-5-one
CID 63938684
N-[2-(oxolan-2-yl)ethyl]piperidine-2-carboxamide
CID 61038739
3-(oxan-2-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386884
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[2-(oxan-2-yl)ethyl]-2-oxoacetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[2-(oxan-2-yl)ethyl]-2-oxoacetamide (CID 106000350) is 2-(1,4-diazepan-1-yl)-N-[2-(oxan-2-yl)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[2-(oxan-2-yl)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[2-(oxan-2-yl)ethyl]-2-oxoacetamide is O=C(NCCC1CCCCO1)C(=O)N1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[2-(oxan-2-yl)ethyl]-2-oxoacetamide?
The InChIKey is BUJBCVRBGUTLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c18-13(14(19)17-9-3-6-15-8-10-17)16-7-5-12-4-1-2-11-20-12/h12,15H,1-11H2,(H,16,18).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[2-(oxan-2-yl)ethyl]-2-oxoacetamide?
2-(1,4-diazepan-1-yl)-N-[2-(oxan-2-yl)ethyl]-2-oxoacetamide has a molecular weight of 283.37 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-[2-(oxan-2-yl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 106000350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).